8OGT
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![BU of 8ogt by Molmil](/molmil-images/mine/8ogt) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04 | Descriptor: | 2-hydrazinyl-4-methoxypyrimidine, Cyclic di-AMP synthase CdaA, MAGNESIUM ION | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-20 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry C04 To Be Published
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8OHF
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![BU of 8ohf by Molmil](/molmil-images/mine/8ohf) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04 | Descriptor: | Cyclic di-AMP synthase CdaA, MAGNESIUM ION, N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04 To Be Published
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8OHO
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![BU of 8oho by Molmil](/molmil-images/mine/8oho) | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 | Descriptor: | 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea, Cyclic di-AMP synthase CdaA, MAGNESIUM ION, ... | Authors: | Garbers, T.B, Neumann, P, Wollenhaupt, J, Weiss, M.S, Ficner, R. | Deposit date: | 2023-03-21 | Release date: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry H11 To Be Published
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5HD3
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![BU of 5hd3 by Molmil](/molmil-images/mine/5hd3) | |
2X1X
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![BU of 2x1x by Molmil](/molmil-images/mine/2x1x) | CRYSTAL STRUCTURE OF VEGF-C IN COMPLEX WITH DOMAINS 2 AND 3 OF VEGFR2 IN A TETRAGONAL CRYSTAL FORM | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MERCURY (II) ION, ... | Authors: | Leppanen, V.-M, Prota, A.E, Jeltsch, M, Anisimov, A, Kalkkinen, N, Strandin, T, Lankinen, H, Goldman, A, Ballmer-Hofer, K, Alitalo, K. | Deposit date: | 2010-01-08 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural Determinants of Growth Factor Binding and Specificity by Vegf Receptor 2. Proc.Natl.Acad.Sci.USA, 107, 2010
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4HDG
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![BU of 4hdg by Molmil](/molmil-images/mine/4hdg) | Crystal Structure of viral RdRp in complex with GTP | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Polyprotein, ZINC ION | Authors: | Surana, P, Nair, D.T. | Deposit date: | 2012-10-02 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | RNA-dependent RNA polymerase of Japanese encephalitis virus binds the initiator nucleotide GTP to form a mechanistically important pre-initiation state. Nucleic Acids Res., 42, 2014
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2X1A
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![BU of 2x1a by Molmil](/molmil-images/mine/2x1a) | Structure of Rna15 RRM with RNA bound (G) | Descriptor: | 5'-R(*GP*UP*UP*GP*UP)-3', MAGNESIUM ION, MRNA 3'-END-PROCESSING PROTEIN RNA15 | Authors: | Pancevac, C, Goldstone, D.C, Ramos, A, Taylor, I.A. | Deposit date: | 2010-01-06 | Release date: | 2010-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure of the RNA15 Rrm-RNA Complex Reveals the Molecular Basis of Gu Specificity in Transcriptional 3-End Processing Factors. Nucleic Acids Res., 38, 2010
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2X1W
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![BU of 2x1w by Molmil](/molmil-images/mine/2x1w) | Crystal Structure of VEGF-C in Complex with Domains 2 and 3 of VEGFR2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CESIUM ION, ... | Authors: | Leppanen, V.M, Prota, A.E, Jeltsch, M, Anisimov, A, Kalkkinen, N, Strandin, T, Lankinen, H, Goldman, A, Ballmer-Hofer, K, Alitalo, K. | Deposit date: | 2010-01-08 | Release date: | 2010-03-09 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Determinants of Growth Factor Binding and Specificity by Vegf Receptor 2. Proc.Natl.Acad.Sci.USA, 107, 2010
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2X1F
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![BU of 2x1f by Molmil](/molmil-images/mine/2x1f) | Structure of Rna15 RRM with bound RNA (GU) | Descriptor: | 5'-R(*GP*UP*UP*GP*UP)-3', MRNA 3'-END-PROCESSING PROTEIN RNA15 | Authors: | Pancevac, C, Goldstone, D.C, Ramos, A, Taylor, I.A. | Deposit date: | 2010-01-06 | Release date: | 2010-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the RNA15 Rrm-RNA Complex Reveals the Molecular Basis of Gu Specificity in Transcriptional 3-End Processing Factors. Nucleic Acids Res., 38, 2010
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8JQU
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![BU of 8jqu by Molmil](/molmil-images/mine/8jqu) | Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Pandey, D, Zohib, M, Pal, R.K, Biswal, B.K, Arora, A. | Deposit date: | 2023-06-14 | Release date: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Crystal structure of GppNHp bound GTPase domain of Rab5a from Leishmania donovani To Be Published
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5V2I
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2X1B
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![BU of 2x1b by Molmil](/molmil-images/mine/2x1b) | Structure of RNA15 RRM | Descriptor: | MRNA 3'-END-PROCESSING PROTEIN RNA15, PHOSPHATE ION | Authors: | Pancevac, C, Goldstone, D.C, Ramos, A, Taylor, I.A. | Deposit date: | 2010-01-06 | Release date: | 2010-02-02 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the RNA15 Rrm-RNA Complex Reveals the Molecular Basis of Gu Specificity in Transcriptional 3-End Processing Factors. Nucleic Acids Res., 38, 2010
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1PUE
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![BU of 1pue by Molmil](/molmil-images/mine/1pue) | PU.1 ETS DOMAIN-DNA COMPLEX | Descriptor: | DNA (5'-D(*AP*AP*AP*AP*AP*GP*GP*GP*GP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*CP*CP*TP*TP*TP*T)-3'), PROTEIN (TRANSCRIPTION FACTOR PU.1 (TF PU.1)) | Authors: | Kodandapani, R, Pio, F, Ni, C.Z, Piccialli, G, Klemsz, M, McKercher, S, Maki, R.A, Ely, K.R. | Deposit date: | 1996-07-08 | Release date: | 1997-02-12 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A new pattern for helix-turn-helix recognition revealed by the PU.1 ETS-domain-DNA complex. Nature, 380, 1996
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5RLG
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![BU of 5rlg by Molmil](/molmil-images/mine/5rlg) | PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex with Z19739650 | Descriptor: | (2S)-2-(4-cyanophenoxy)propanamide, Helicase, PHOSPHATE ION, ... | Authors: | Newman, J.A, Yosaatmadja, Y, Douangamath, A, Aimon, A, Powell, A.J, Dias, A, Fearon, D, Dunnett, L, Brandao-Neto, J, Krojer, T, Skyner, R, Gorrie-Stone, T, Thompson, W, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2020-09-16 | Release date: | 2020-09-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Structure, mechanism and crystallographic fragment screening of the SARS-CoV-2 NSP13 helicase. Nat Commun, 12, 2021
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5HDC
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5HDD
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![BU of 5hdd by Molmil](/molmil-images/mine/5hdd) | |
2V0R
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![BU of 2v0r by Molmil](/molmil-images/mine/2v0r) | crystal structure of a hairpin exchange variant (LTx) of the targeting LINE-1 retrotransposon endonuclease | Descriptor: | LTX, SULFATE ION | Authors: | Repanas, K, Zingler, N, Layer, L.E, Schumann, G.G, Perrakis, A, Weichenrieder, O. | Deposit date: | 2007-05-17 | Release date: | 2007-07-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Determinants for DNA Target Structure Selectivity of the Human Line-1 Retrotransposon Endonuclease Nucleic Acids Res., 35, 2007
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5HDS
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5E78
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![BU of 5e78 by Molmil](/molmil-images/mine/5e78) | Crystal structure of P450 BM3 heme domain variant complexed with Co(III)Sep | Descriptor: | 1,3,6,8,10,13,16,19-octaazabicyclo[6.6.6]icosane, Bifunctional P-450/NADPH-P450 reductase, CHLORIDE ION, ... | Authors: | Panneerselvm, S, Shehzad, A, Bocola, M, Mueller-Dieckmann, J, Schwaneberg, U. | Deposit date: | 2015-10-12 | Release date: | 2016-09-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic insights into a cobalt (III) sepulchrate based alternative cofactor system of P450 BM3 monooxygenase. Biochim. Biophys. Acta, 1866, 2018
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5HD5
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1QEZ
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![BU of 1qez by Molmil](/molmil-images/mine/1qez) | SULFOLOBUS ACIDOCALDARIUS INORGANIC PYROPHOSPHATASE: AN ARCHAEL PYROPHOSPHATASE. | Descriptor: | MAGNESIUM ION, PROTEIN (INORGANIC PYROPHOSPHATASE) | Authors: | Leppanen, V.-M, Nummelin, H, Hansen, T, Lahti, R, Schafer, G, Goldman, A. | Deposit date: | 1999-04-06 | Release date: | 1999-04-14 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Sulfolobus acidocaldarius inorganic pyrophosphatase: structure, thermostability, and effect of metal ion in an archael pyrophosphatase. Protein Sci., 8, 1999
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5RX9
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![BU of 5rx9 by Molmil](/molmil-images/mine/5rx9) | INPP5D PanDDA analysis group deposition -- Crystal Structure of the phosphatase and C2 domains of SHIP1 in complex with Z54226095 | Descriptor: | (azepan-1-yl)(2,6-difluorophenyl)methanone, DIMETHYL SULFOXIDE, Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 | Authors: | Bradshaw, W.J, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O. | Deposit date: | 2020-10-30 | Release date: | 2020-11-11 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.29 Å) | Cite: | Regulation of inositol 5-phosphatase activity by the C2 domain of SHIP1 and SHIP2. Structure, 2024
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4IV5
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![BU of 4iv5 by Molmil](/molmil-images/mine/4iv5) | |
3WFJ
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![BU of 3wfj by Molmil](/molmil-images/mine/3wfj) | The complex structure of D-mandelate dehydrogenase with NADH | Descriptor: | 2-dehydropantoate 2-reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Miyanaga, A, Fujisawa, S, Furukawa, N, Arai, K, Nakajima, M, Taguchi, H. | Deposit date: | 2013-07-19 | Release date: | 2014-07-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The crystal structure of D-mandelate dehydrogenase reveals its distinct substrate and coenzyme recognition mechanisms from those of 2-ketopantoate reductase. Biochem.Biophys.Res.Commun., 439, 2013
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5SSD
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![BU of 5ssd by Molmil](/molmil-images/mine/5ssd) | PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCm4000007vvRA - (R,S) isomer | Descriptor: | (1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid, Non-structural protein 3 | Authors: | Correy, G.J, Fraser, J.S. | Deposit date: | 2022-06-09 | Release date: | 2022-07-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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